UCSF

ZINC34668528

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 12.15 -49.65 1 8 1 77 456.563 8
Mid Mid (pH 6-8) 3.28 9.83 -12.85 0 8 0 75 455.555 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )